(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

C14H20N2 — CID 139404819

IUPAC(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESC/C=c1\nn/c(=C\C)c2c1CCCCCC2
InChIInChI=1S/C14H20N2/c1-3-13-11-9-7-5-6-8-10-12(11)14(4-2)16-15-13/h3-4H,5-10H2,1-2H3/b13-3-,14-4-
InChIKeyYRKOOCNTHLTOSK-JJNPTMGBSA-N
MW216.33 g/mol
LogP1.74
Rot. Bonds

About (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine

(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (PubChem CID 139404819) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
PubChem CID139404819
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
SMILESC/C=c1\nn/c(=C\C)c2c1CCCCCC2
InChIInChI=1S/C14H20N2/c1-3-13-11-9-7-5-6-8-10-12(11)14(4-2)16-15-13/h3-4H,5-10H2,1-2H3/b13-3-,14-4-
InChIKeyYRKOOCNTHLTOSK-JJNPTMGBSA-N
XLogP1.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The IUPAC name of (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine (CID 139404819) is (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine.
What is the SMILES notation for (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The canonical SMILES for (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is C/C=c1\nn/c(=C\C)c2c1CCCCCC2.
What is the InChIKey of (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
The InChIKey is YRKOOCNTHLTOSK-JJNPTMGBSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-13-11-9-7-5-6-8-10-12(11)14(4-2)16-15-13/h3-4H,5-10H2,1-2H3/b13-3-,14-4-.
What are the key properties of (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine?
(1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine has a molecular weight of 216.33 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-1,4-di(ethylidene)-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine is sourced from PubChem (CID 139404819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).